4-methyl-1-[3-methylbutyl(3-oxopentyl)amino]pentan-3-one

C16H31NO2 — CID 121263417

IUPAC4-methyl-1-[3-methylbutyl(3-oxopentyl)amino]pentan-3-one
SMILESCCC(=O)CCN(CCC(=O)C(C)C)CCC(C)C
InChIInChI=1S/C16H31NO2/c1-6-15(18)8-11-17(10-7-13(2)3)12-9-16(19)14(4)5/h13-14H,6-12H2,1-5H3
InChIKeyVCHXSFXVRBKIRL-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.32
Rot. Bonds11

About 4-methyl-1-[3-methylbutyl(3-oxopentyl)amino]pentan-3-one

4-methyl-1-[3-methylbutyl(3-oxopentyl)amino]pentan-3-one (PubChem CID 121263417) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 4-methyl-1-[3-methylbutyl(3-oxopentyl)amino]pentan-3-one.

Molecular Properties

Compound Name4-methyl-1-[3-methylbutyl(3-oxopentyl)amino]pentan-3-one
PubChem CID121263417
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name4-methyl-1-[3-methylbutyl(3-oxopentyl)amino]pentan-3-one
SMILESCCC(=O)CCN(CCC(=O)C(C)C)CCC(C)C
InChIInChI=1S/C16H31NO2/c1-6-15(18)8-11-17(10-7-13(2)3)12-9-16(19)14(4)5/h13-14H,6-12H2,1-5H3
InChIKeyVCHXSFXVRBKIRL-UHFFFAOYSA-N
XLogP3.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[bis(4-methyl-3-oxopentyl)amino]-4-methylpentan-3-one
CID 134294536
3-[bis(3-methylbutyl)amino]propanamide
CID 103601317
ethane;7-methyloctan-3-one
CID 142816942
1-[bis(3-methylbutyl)amino]pentan-2-one
CID 107870488
3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]propanoic acid
CID 82330254
1-[bis(2-oxobutyl)amino]-3-methylbutan-2-one
CID 135280790
6-[bis(3-methylbutyl)amino]hexan-2-one
CID 107870512
2-methylpentane;2-methylpentan-3-one
CID 160798944
2,6-dimethylheptane;2,7-dimethyloctan-3-one
CID 161345057
1-[2-[2-[bis(3-methyl-2-oxobutyl)amino]ethyl-(2-oxopropyl)amino]ethyl-(2-oxobutyl)amino]-3-methylbutan-2-one
CID 145053842
(6S)-6-hydroxyheptan-3-one
CID 163026982
2-[3-methylbutyl(propyl)amino]acetic acid
CID 61008977

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[3-methylbutyl(3-oxopentyl)amino]pentan-3-one?
The IUPAC name of 4-methyl-1-[3-methylbutyl(3-oxopentyl)amino]pentan-3-one (CID 121263417) is 4-methyl-1-[3-methylbutyl(3-oxopentyl)amino]pentan-3-one.
What is the SMILES notation for 4-methyl-1-[3-methylbutyl(3-oxopentyl)amino]pentan-3-one?
The canonical SMILES for 4-methyl-1-[3-methylbutyl(3-oxopentyl)amino]pentan-3-one is CCC(=O)CCN(CCC(=O)C(C)C)CCC(C)C.
What is the InChIKey of 4-methyl-1-[3-methylbutyl(3-oxopentyl)amino]pentan-3-one?
The InChIKey is VCHXSFXVRBKIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-6-15(18)8-11-17(10-7-13(2)3)12-9-16(19)14(4)5/h13-14H,6-12H2,1-5H3.
What are the key properties of 4-methyl-1-[3-methylbutyl(3-oxopentyl)amino]pentan-3-one?
4-methyl-1-[3-methylbutyl(3-oxopentyl)amino]pentan-3-one has a molecular weight of 269.43 g/mol, XLogP of 3.32, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[3-methylbutyl(3-oxopentyl)amino]pentan-3-one is sourced from PubChem (CID 121263417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).